Benzoic Acid Hexyl Ester

Benzoic Acid Hexyl Ester

SCHEMBL8071129

CC(=O)OC/C=C(\C)CCC=C(C)C.CCCCCCOC(=O)c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.56
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzoic Acid Hexyl Ester SCHEMBL8071130 1.00 TRPV1 (0.56) TRPV1ALDH1A1ALOX15TDP1NPC1
Geranyl Acetate SCHEMBL7073233 0.85 ALDH1A1 (0.71) TRPV1ALDH1A1ALOX15
Geranyl Acetate SCHEMBL7073230 0.85 ALDH1A1 (0.71) TRPV1ALDH1A1ALOX15
SCHEMBL584936 0.83 TRPV1 (0.77) TRPV1ALDH1A1ALOX15
SCHEMBL5605086 0.83 TRPV1 (0.77) TRPV1ALDH1A1ALOX15
SCHEMBL5312466 0.83 TRPV1 (0.77) TRPV1ALDH1A1ALOX15
SCHEMBL584937 0.83 TRPV1 (0.77) TRPV1ALDH1A1ALOX15
SCHEMBL9274111 0.83 ALDH1A1 (0.64) TRPV1ALDH1A1ALOX15
SCHEMBL11411106 0.82 TRPV1 (0.75) TRPV1ALDH1A1ALOX15
SCHEMBL6445166 0.82 TRPV1 (0.75) TRPV1ALDH1A1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281504-A Containing spandex®Laundry treatment product for fabrics UNILEVER PLC (NL) 2001-01-24 CN disclosed
EP-1029032-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2000-08-23 EP disclosed
EP-1023480-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-08-02 EP disclosed
EP-1021160-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL NEDERLAND BV (NL) 2000-07-26 EP disclosed
WO-1999018926-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 1999-04-22 WO disclosed
WO-1999019553-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-22 WO disclosed
WO-1999019452-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX® CONTAINING FABRICS UNILEVER PLC (GB) 1999-04-22 WO disclosed